2-[3-chloranyl-4-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[3-chloranyl-4-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-chloro-4-[2-(1-piperidinyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-chloro-4-(2-piperidinoethoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C18H21ClN2O3S MolecularWeight: 380.88894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCCN3CCCCC3)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCCN3CCCCC3)Cl)C(=O)O

InChI

InChI=1S/C18H21ClN2O3S/c1-12-16(18(22)23)25-17(20-12)13-5-6-15(14(19)11-13)24-10-9-21-7-3-2-4-8-21/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)